Hi All:
I have trouble in reading prep
file (created by antechamber) into
xleap. xleap exits with the following
message
-----------------------------------------------------
!FATAL ERROR----------------------------------------
!FATAL: In file [atom.c], line 443
!FATAL: Message: bondAtomProblem found
!
!ABORTING.
----------------------------------
The leap.log has the following message
Bond: Maximum coordination exceeded on .R<AMB 1>.A<H1 4>
-- setting atoms pert=true overrides default limits
ATOMS NOT BONDED: .R<AMB 1>.A<C4 5> .R<AMB 1>.A<H1 4>
Thanks
Ravi
Received on Tue Jul 16 2002 - 07:06:31 PDT
